UCSF

ZINC55107419

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 27 Yes

Popular Name: 2-[3-[4-(5-cyano-2-pyridyl)piperazine-1-carbonyl]anilino]acetic 2-[3-[4-(5-cyano-2-pyridyl)piper…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.48 7.95 -52.39 1 8 -1 112 364.385 5 ↓
Lo Low (pH 4.5-6) -0.48 5.96 -19.38 2 8 0 110 365.393 5 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.